CID 138987536

2649080-00-0

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CC1(CC(=NO1)C2CN(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H20N2O5/c1-12(2,3)19-11(18)15-6-8(7-15)9-5-13(4,10(16)17)20-14-9/h8H,5-7H2,1-4H3,(H,16,17)
InChIKey
PALXLGOTBTWPEZ-UHFFFAOYSA-N
Compound name
5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.144476 163.3
[M+Na]+ 307.126418 167.8
[M-H]- 283.129924 166.6
[M+NH4]+ 302.171023 171.7
[M+K]+ 323.100358 171.6
[M+H-H2O]+ 267.134460 152.9
[M+HCOO]- 329.135401 176.8
[M+CH3COO]- 343.151051 198.5
[M+Na-2H]- 305.111866 164.7
[M]+ 284.13665142 174.1
[M]- 284.13774858 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.